dimethyl (3S)-6-(4-chlorophenyl)carbonyl-2-phenyl-3H-pyridazine-3,4-dicarboxylate

Systemtic Name: dimethyl (3S)-6-(4-chlorophenyl)carbonyl-2-phenyl-3H-pyridazine-3,4-dicarboxylate Openeye Name: dimethyl (3S)-6-(4-chlorobenzoyl)-2-phenyl-3H-pyridazine-3,4-dicarboxylate CAS Name: (3S)-6-[(4-chlorophenyl)-oxomethyl]-2-phenyl-3H-pyridazine-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3S)-6-(4-chlorobenzoyl)-2-phenyl-3H-pyridazine-3,4-dicarboxylate Traditional Name: (3S)-6-(4-chlorobenzoyl)-2-phenyl-3H-pyridazine-3,4-dicarboxylic acid dimethyl ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=CC(=NN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)[C@@H]1C(=CC(=NN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H17ClN2O5/c1-28-20(26)16-12-17(19(25)13-8-10-14(22)11-9-13)23-24(18(16)21(27)29-2)15-6-4-3-5-7-15/h3-12,18H,1-2H3/t18-/m0/s1